2-Methyl nitrobenzoate
Structural formula
| Business number | 0697 |
|---|---|
| Molecular formula | C8H7NO4 |
| Molecular weight | 181.15 |
| label |
O2NC6H4CO2CH3 |
Numbering system
CAS number:606-27-9
MDL number:MFCD00007136
EINECS number:210-111-8
RTECS number:None
BRN number:2050101
PubChem number:24849583
Physical property data
Physical property data:
1. Characteristics: colorless liquid.
2. Density (g/mL ,25/4℃):1.2855
3. Refraction Rate (nD20):1.5340
4. Flashpoint (℃):＞110
5. Melting point (℃):-13
6. Boiling Point (ºC,0.67kpaor5 mmHg): 275
7. Solubility:Soluble in ethanol, ether, methanol, chloroform and benzene , insoluble in water.
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:44.57 2, Molar volume (m3/mol):139.1 3、 isotonic specific volume (90.2K): 367.6 4, Surface tension (dyne/ cm): 48.6 5、 Polarizability (10-24cm3): 17.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 72.1
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 211
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
1. Storage
Should be sealed in a cool place save.
Synthesis method
2. Brief description of production method
By Obtained from the reaction of o-nitrobenzoic acid and methanol.
Purpose
3. Purpose
Used in organic synthesis.